SCHEMBL7437237

SCHEMBL7437237

CC(C)C[C@H](NC(=O)OCC1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
REN P00797 4/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7437245 1.00 CAPN1 (0.46) CAPN1CTSSCTSKREN
SCHEMBL7302944 0.90 CAPN1 (0.43) CAPN1CTSK
SCHEMBL7302936 0.90 CAPN1 (0.43) CAPN1CTSK
SCHEMBL7302919 0.90 CAPN1 (0.43) CAPN1CTSK
SCHEMBL7305818 0.90 CAPN1 (0.43) CAPN1CTSK
SCHEMBL8683255 0.90 CAPN1 (0.43) CAPN1CTSK
SCHEMBL7305799 0.90 CAPN1 (0.43) CAPN1CTSK
SCHEMBL7305812 0.90 CAPN1 (0.43) CAPN1CTSK
SCHEMBL8680993 0.89 EDNRA (0.44) CAPN1CTSSCTSK
SCHEMBL8680988 0.89 EDNRA (0.44) CAPN1CTSSCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525420-B1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors MITSUBISHI CHEM CORP (JP) 1999-05-12 EP disclosed
US-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed